3-[3-(tert-butylamino)-4-methyl-2-(3-oxidanylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[3-(tert-butylamino)-4-methyl-2-(3-oxidanylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[3-(tert-butylamino)-2-(3-hydroxypropoxy)-4-methyl-phenyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[3-(tert-butylamino)-2-(3-hydroxypropoxy)-4-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[3-(tert-butylamino)-2-(3-hydroxypropoxy)-4-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[3-(tert-butylamino)-2-(3-hydroxypropoxy)-4-methyl-phenyl]-4,5-dihydro-1H-pyridazin-6-one Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C2=NNC(=O)CC2)OCCCO)NC(C)(C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C2=NNC(=O)CC2)OCCCO)NC(C)(C)C

InChI

InChI=1S/C18H27N3O3/c1-12-6-7-13(14-8-9-15(23)21-20-14)17(24-11-5-10-22)16(12)19-18(2,3)4/h6-7,19,22H,5,8-11H2,1-4H3,(H,21,23)